Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.54 |
| ▸ | CA9 | Q16790 | 4/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL6880906 | 0.83 | MAOB (0.73) | CA12CA9CA1MAOBALDH1A1 | |
| Hydrogen Sulfide SCHEMBL6880967 | 0.76 | CYP2A6 (0.55) | CA12CA9CA1MAOBALDH1A1 | |
| SCHEMBL3520931 | 0.76 | MAOB (0.50) | CA12CA9CA1MAOBALDH1A1 | |
| SCHEMBL6937941 | 0.75 | KMT2A (0.50) | ALDH1A1GAAKMT2AMEN1MAPT | |
| SCHEMBL3523373 | 0.75 | CA12 (0.58) | CA12CA9CA1MAOBALDH1A1 | |
| SCHEMBL5671449 | 0.73 | MAOB (0.45) | CA12CA9CA1MAOBALDH1A1 | |
| SCHEMBL6877391 | 0.73 | ALDH1A1 (0.47) | CA12CA9CA1ALDH1A1MCL1 | |
| SCHEMBL3371438 | 0.73 | CA12 (0.56) | CA12CA9CA1MAOBALDH1A1 | |
| Hydrogen Sulfide SCHEMBL6878894 | 0.73 | ALDH1A1 (0.44) | CA12CA9CA1MAOBALDH1A1 | |
| SCHEMBL3918843 | 0.72 | MEN1 (0.49) | CA12CA9CA1MAOBALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |